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TbAlZnGe2

Alexandria ALEX

Alex-ID: agm024330672 · Space group: P3m1 (#156)

Basic Information

Formula
TbAlZnGe2
Alex-ID
agm024330672
Elements
4
Sites
5
Space group
P3m1 (#156)
Crystal system
trigonal
Volume
104.40
ų
Cell a
4.2047
Å
Cell b
4.2047
Å
Cell c
6.8189
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbAlZnGe2
Tb
1.00 · 20.0%
Al
1.00 · 20.0%
Zn
1.00 · 20.0%
Ge
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.4313
eV/atom
Corrected total energy
-21.0475
eV
Raw total energy
-21.0475
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.1407
eV
DOS at Fermi level
1.1737
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD2_88_spg156

Decomposition

Tb(AlGe)2 TbZn11 Tb4Zn5Ge6 Ge

Computed at

2025-01-03 22:58:24

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024330672).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm024330672
data_agm024330672
_cell_length_a     4.20473
_cell_length_b     4.20473
_cell_length_c     6.81885
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       104.40435
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Tb1 Tb 0.00000 0.00000 0.00899 1.00000
  Al1 Al 0.33333 0.66667 0.63166 1.00000
  Zn1 Zn 0.66667 0.33333 0.35303 1.00000
  Ge1 Ge 0.33333 0.66667 0.25441 1.00000
  Ge2 Ge 0.66667 0.33333 0.75191 1.00000
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